# generated using pymatgen data_Li2Mn3(BO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.71407800 _cell_length_b 8.26885100 _cell_length_c 8.28046824 _cell_angle_alpha 60.19065508 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mn3(BO3)3 _chemical_formula_sum 'Li8 Mn12 B12 O36' _cell_volume 755.34736031 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.50000000 0.70301300 0.27798700 1.0 Li Li1 1 0.00000000 0.69994600 0.27720100 1.0 Li Li2 1 0.50000000 0.27928200 0.02186200 1.0 Li Li3 1 0.74844900 0.27978500 0.01821900 1.0 Li Li4 1 0.25155100 0.27978500 0.01821900 1.0 Li Li5 1 0.75121100 0.02161700 0.70026700 1.0 Li Li6 1 0.00000000 0.01705000 0.70101500 1.0 Li Li7 1 0.24878900 0.02161700 0.70026700 1.0 Mn Mn8 1 0.37515300 0.98083800 0.38267800 1.0 Mn Mn9 1 0.62484700 0.98083800 0.38267800 1.0 Mn Mn10 1 0.87446800 0.98873300 0.36022900 1.0 Mn Mn11 1 0.12553200 0.98873300 0.36022900 1.0 Mn Mn12 1 0.37443900 0.37061300 0.63145200 1.0 Mn Mn13 1 0.62556100 0.37061300 0.63145200 1.0 Mn Mn14 1 0.87464000 0.37945700 0.63910300 1.0 Mn Mn15 1 0.12536000 0.37945700 0.63910300 1.0 Mn Mn16 1 0.87517100 0.63046400 0.99673100 1.0 Mn Mn17 1 0.37595600 0.64973200 0.98992200 1.0 Mn Mn18 1 0.62404400 0.64973200 0.98992200 1.0 Mn Mn19 1 0.12482900 0.63046400 0.99673100 1.0 B B20 1 0.87461900 0.00057700 0.99168600 1.0 B B21 1 0.37402500 0.00623800 0.00246400 1.0 B B22 1 0.62597500 0.00623800 0.00246400 1.0 B B23 1 0.12538100 0.00057700 0.99168600 1.0 B B24 1 0.25007900 0.32740900 0.33768800 1.0 B B25 1 0.00000000 0.33481400 0.33672000 1.0 B B26 1 0.74992100 0.32740900 0.33768800 1.0 B B27 1 0.50000000 0.33229100 0.32440000 1.0 B B28 1 0.75026400 0.66939000 0.67355400 1.0 B B29 1 0.50000000 0.65772300 0.66887000 1.0 B B30 1 0.00000000 0.66956300 0.66032500 1.0 B B31 1 0.24973600 0.66939000 0.67355400 1.0 O O32 1 0.61561100 0.81602800 0.10245800 1.0 O O33 1 0.11459700 0.80958400 0.09354600 1.0 O O34 1 0.38438900 0.81602800 0.10245800 1.0 O O35 1 0.88540300 0.80958400 0.09354600 1.0 O O36 1 0.50000000 0.77654000 0.47387400 1.0 O O37 1 0.00000000 0.78471300 0.46687100 1.0 O O38 1 0.74440400 0.78498100 0.48391700 1.0 O O39 1 0.25559600 0.78498100 0.48391700 1.0 O O40 1 0.50000000 0.44953100 0.13375700 1.0 O O41 1 0.25079100 0.44137100 0.14670700 1.0 O O42 1 0.74920900 0.44137100 0.14670700 1.0 O O43 1 0.00000000 0.45902000 0.14703700 1.0 O O44 1 0.86136600 0.10056400 0.08174200 1.0 O O45 1 0.37763000 0.11176000 0.09191800 1.0 O O46 1 0.62237000 0.11176000 0.09191800 1.0 O O47 1 0.13863400 0.10056400 0.08174200 1.0 O O48 1 0.24678400 0.39507800 0.46013700 1.0 O O49 1 0.00000000 0.41178000 0.45300800 1.0 O O50 1 0.75321600 0.39507800 0.46013700 1.0 O O51 1 0.50000000 0.40940500 0.43943400 1.0 O O52 1 0.50000000 0.73148600 0.78318200 1.0 O O53 1 0.75377700 0.74516000 0.79171700 1.0 O O54 1 0.24622300 0.74516000 0.79171700 1.0 O O55 1 0.00000000 0.74407000 0.77735700 1.0 O O56 1 0.50000000 0.46431100 0.74054000 1.0 O O57 1 0.75267800 0.47694700 0.74853700 1.0 O O58 1 0.00000000 0.47788300 0.73369300 1.0 O O59 1 0.24732200 0.47694700 0.74853700 1.0 O O60 1 0.50000000 0.14096300 0.39289900 1.0 O O61 1 0.00000000 0.14454900 0.41023600 1.0 O O62 1 0.25255100 0.13431700 0.41386400 1.0 O O63 1 0.74744900 0.13431700 0.41386400 1.0 O O64 1 0.35990400 0.09543900 0.81208400 1.0 O O65 1 0.64009600 0.09543900 0.81208400 1.0 O O66 1 0.87727300 0.08989200 0.79746800 1.0 O O67 1 0.12272700 0.08989200 0.79746800 1.0